CID 510386

7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-4-oxo-quinoline-3-carboxylic acid

Structural Information

Molecular Formula
C17H18ClN3O3
SMILES
C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)N4CCC(C4)N)Cl)C(=O)O
InChI
InChI=1S/C17H18ClN3O3/c18-14-13(20-6-5-9(19)7-20)4-3-11-15(14)21(10-1-2-10)8-12(16(11)22)17(23)24/h3-4,8-10H,1-2,5-7,19H2,(H,23,24)
InChIKey
RMLUSRHSCDOPRC-UHFFFAOYSA-N
Compound name
7-(3-aminopyrrolidin-1-yl)-8-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

347.10367 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11095 178.7
[M+Na]+ 370.09289 189.5
[M-H]- 346.09639 185.7
[M+NH4]+ 365.13749 187.4
[M+K]+ 386.06683 181.3
[M+H-H2O]+ 330.10093 171.7
[M+HCOO]- 392.10187 191.7
[M+CH3COO]- 406.11752 188.5
[M+Na-2H]- 368.07834 177.2
[M]+ 347.10312 181.1
[M]- 347.10422 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe